4-(1-ethyl-1H-imidazol-2-yl)-N-phenylpiperidine-1-carboxamide

• ChemBase ID: 315876
• Molecular Formular: C17H22N4O
• Molecular Mass: 298.38278
• Monoisotopic Mass: 298.17936134
• SMILES: C(=O)(N1CCC(c2n(ccn2)CC)CC1)Nc1ccccc1
• Canonical SMILES: CCn1ccnc1C1CCN(CC1)C(=O)Nc1ccccc1
• InChI: InChI=1S/C17H22N4O/c1-2-20-13-10-18-16(20)14-8-11-21(12-9-14)17(22)19-15-6-4-3-5-7-15/h3-7,10,13-14H,2,8-9,11-12H2,1H3,(H,19,22)
• InChIKey: OISZNGACRPGJKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-ethyl-1H-imidazol-2-yl)-N-phenylpiperidine-1-carboxamide
• IUPAC Traditional name: 4-(1-ethylimidazol-2-yl)-N-phenylpiperidine-1-carboxamide
• Synonyms: 4-(1-ethyl-1H-imidazol-2-yl)-N-phenyl-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.424592
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4970374
• LogD (pH = 7.4): 2.1487424
• Log P: 2.1795437
• Molar Refractivity: 88.2281 cm^3
• Polarizability: 32.98903 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.58
• LOG S: -2.73
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 3